Cu1CONBOm4 Spin Electron density from Spin SCF Density 3 -10.127302 -10.027643 -10.057666 79 0.255838 0.000000 0.000000 79 0.000000 0.255838 0.000000 81 0.000000 0.000000 0.255838 29 19.000000 -0.099659 0.000000 -0.030023 6 6.000000 0.182362 0.000000 3.753168 8 8.000000 1.700087 0.000000 5.498275 1.83795E-08 2.31532E-08 2.89862E-08 3.60644E-08 4.45937E-08 5.47997E-08 6.69259E-08 8.12315E-08 9.79874E-08 1.17472E-07 1.39964E-07 1.65738E-07 1.95053E-07 2.28144E-07 2.65211E-07 3.06412E-07 3.51846E-07 4.01544E-07 4.55461E-07 5.13462E-07 5.75315E-07 6.40689E-07 7.09143E-07 7.80134E-07 8.53011E-07 9.27027E-07 1.00135E-06 1.07507E-06 1.14722E-06 1.21680E-06 1.28279E-06 1.34419E-06 1.40002E-06 1.44938E-06 1.49144E-06 1.52547E-06 1.55090E-06 1.56728E-06 1.57433E-06 1.57192E-06 1.56012E-06 1.53913E-06 1.50935E-06 1.47131E-06 1.42566E-06 1.37319E-06 1.31477E-06 1.25135E-06 1.18389E-06 1.11342E-06 1.04092E-06 9.67357E-07 8.93662E-07 8.20685E-07 7.49199E-07 6.79886E-07 6.13331E-07 5.50013E-07 4.90311E-07 4.34501E-07 3.82764E-07 3.35190E-07 2.91790E-07 2.52505E-07 2.17214E-07 1.85747E-07 1.57897E-07 1.33427E-07 1.12079E-07 9.35875E-08 7.76824E-08 6.40968E-08 5.25722E-08 4.28629E-08 3.47383E-08 2.79857E-08 2.24110E-08 1.78395E-08 1.41155E-08 1.11019E-08 8.67937E-09 2.33801E-08 2.94520E-08 3.68711E-08 4.58737E-08 5.67217E-08 6.97019E-08 8.51241E-08 1.03318E-07 1.24627E-07 1.49406E-07 1.78009E-07 2.10785E-07 2.48062E-07 2.90140E-07 3.37275E-07 3.89663E-07 4.47433E-07 5.10623E-07 5.79175E-07 6.52917E-07 7.31556E-07 8.14666E-07 9.01691E-07 9.91936E-07 1.08457E-06 1.17866E-06 1.27312E-06 1.36682E-06 1.45851E-06 1.54694E-06 1.63079E-06 1.70880E-06 1.77973E-06 1.84242E-06 1.89583E-06 1.93904E-06 1.97130E-06 1.99206E-06 2.00095E-06 1.99783E-06 1.98277E-06 1.95604E-06 1.91813E-06 1.86973E-06 1.81166E-06 1.74493E-06 1.67065E-06 1.59001E-06 1.50425E-06 1.41467E-06 1.32251E-06 1.22902E-06 1.13537E-06 1.04263E-06 9.51789E-07 8.63716E-07 7.79151E-07 6.98703E-07 6.22852E-07 5.51948E-07 4.86220E-07 4.25784E-07 3.70651E-07 3.20747E-07 2.75917E-07 2.35947E-07 2.00571E-07 1.69487E-07 1.42370E-07 1.18882E-07 9.86792E-08 8.14224E-08 6.67835E-08 5.44503E-08 4.41301E-08 3.55525E-08 2.84711E-08 2.26638E-08 1.79331E-08 1.41049E-08 1.10273E-08 2.95570E-08 3.72322E-08 4.66103E-08 5.79897E-08 7.17015E-08 8.81081E-08 1.07601E-07 1.30596E-07 1.57528E-07 1.88845E-07 2.24995E-07 2.66418E-07 3.13529E-07 3.66705E-07 4.26270E-07 4.92474E-07 5.65476E-07 6.45326E-07 7.31949E-07 8.25128E-07 9.24491E-07 1.02950E-06 1.13945E-06 1.25347E-06 1.37050E-06 1.48936E-06 1.60869E-06 1.72704E-06 1.84286E-06 1.95454E-06 2.06044E-06 2.15894E-06 2.24850E-06 2.32764E-06 2.39504E-06 2.44956E-06 2.49024E-06 2.51639E-06 2.52755E-06 2.52353E-06 2.50442E-06 2.47058E-06 2.42263E-06 2.36141E-06 2.28801E-06 2.20366E-06 2.10979E-06 2.00788E-06 1.89954E-06 1.78636E-06 1.66995E-06 1.55186E-06 1.43356E-06 1.31643E-06 1.20171E-06 1.09049E-06 9.83701E-07 8.82118E-07 7.86343E-07 6.96818E-07 6.13831E-07 5.37527E-07 4.67922E-07 4.04919E-07 3.48324E-07 2.97864E-07 2.53204E-07 2.13964E-07 1.79732E-07 1.50081E-07 1.24577E-07 1.02792E-07 8.43124E-08 6.87431E-08 5.57147E-08 4.48862E-08 3.59463E-08 2.86149E-08 2.26425E-08 1.78093E-08 1.39238E-08 3.71343E-08 4.67763E-08 5.85572E-08 7.28520E-08 9.00764E-08 1.10686E-07 1.35171E-07 1.64055E-07 1.97884E-07 2.37220E-07 2.82626E-07 3.34654E-07 3.93824E-07 4.60612E-07 5.35423E-07 6.18569E-07 7.10251E-07 8.10532E-07 9.19316E-07 1.03633E-06 1.16111E-06 1.29297E-06 1.43104E-06 1.57420E-06 1.72115E-06 1.87037E-06 2.02019E-06 2.16877E-06 2.31416E-06 2.45434E-06 2.58725E-06 2.71088E-06 2.82325E-06 2.92254E-06 3.00709E-06 3.07545E-06 3.12644E-06 3.15917E-06 3.17308E-06 3.16794E-06 3.14385E-06 3.10127E-06 3.04098E-06 2.96404E-06 2.87181E-06 2.76586E-06 2.64795E-06 2.51998E-06 2.38393E-06 2.24182E-06 2.09567E-06 1.94742E-06 1.79892E-06 1.65190E-06 1.50791E-06 1.36832E-06 1.23430E-06 1.10682E-06 9.86628E-07 8.74287E-07 7.70155E-07 6.74412E-07 5.87076E-07 5.08026E-07 4.37018E-07 3.73708E-07 3.17676E-07 2.68445E-07 2.25498E-07 1.88298E-07 1.56301E-07 1.28970E-07 1.05785E-07 8.62514E-08 6.99059E-08 5.63201E-08 4.51038E-08 3.59054E-08 2.84119E-08 2.23477E-08 1.74725E-08 4.63652E-08 5.84029E-08 7.31108E-08 9.09568E-08 1.12460E-07 1.38188E-07 1.68755E-07 2.04812E-07 2.47042E-07 2.96145E-07 3.52825E-07 4.17769E-07 4.91628E-07 5.74994E-07 6.68373E-07 7.72154E-07 8.86588E-07 1.01175E-06 1.14752E-06 1.29357E-06 1.44929E-06 1.61386E-06 1.78616E-06 1.96481E-06 2.14819E-06 2.33439E-06 2.52133E-06 2.70671E-06 2.88810E-06 3.06297E-06 3.22877E-06 3.38297E-06 3.52311E-06 3.64692E-06 3.75232E-06 3.83751E-06 3.90102E-06 3.94174E-06 3.95898E-06 3.95244E-06 3.92226E-06 3.86902E-06 3.79368E-06 3.69758E-06 3.58241E-06 3.45013E-06 3.30294E-06 3.14321E-06 2.97342E-06 2.79609E-06 2.61373E-06 2.42876E-06 2.24350E-06 2.06009E-06 1.88047E-06 1.70635E-06 1.53919E-06 1.38019E-06 1.23030E-06 1.09019E-06 9.60333E-07 8.40937E-07 7.32030E-07 6.33457E-07 5.44913E-07 4.65971E-07 3.96106E-07 3.34721E-07 2.81171E-07 2.34788E-07 1.94892E-07 1.60814E-07 1.31906E-07 1.07551E-07 8.71700E-08 7.02302E-08 5.62446E-08 4.47750E-08 3.54312E-08 2.78694E-08 2.17901E-08 5.75320E-08 7.24678E-08 9.07163E-08 1.12858E-07 1.39537E-07 1.71457E-07 2.09379E-07 2.54113E-07 3.06505E-07 3.67422E-07 4.37738E-07 5.18304E-07 6.09930E-07 7.13348E-07 8.29185E-07 9.57924E-07 1.09987E-06 1.25513E-06 1.42355E-06 1.60469E-06 1.79785E-06 2.00197E-06 2.21567E-06 2.43724E-06 2.66466E-06 2.89559E-06 3.12741E-06 3.35728E-06 3.58219E-06 3.79901E-06 4.00456E-06 4.19571E-06 4.36941E-06 4.52284E-06 4.65343E-06 4.75894E-06 4.83756E-06 4.88792E-06 4.90914E-06 4.90088E-06 4.86331E-06 4.79713E-06 4.70356E-06 4.58427E-06 4.44133E-06 4.27720E-06 4.09459E-06 3.89646E-06 3.68586E-06 3.46594E-06 3.23979E-06 3.01043E-06 2.78072E-06 2.55333E-06 2.33064E-06 2.11479E-06 1.90757E-06 1.71049E-06 1.52469E-06 1.35104E-06 1.19009E-06 1.04212E-06 9.07145E-07 7.84985E-07 6.75257E-07 5.77430E-07 4.90852E-07 4.14783E-07 3.48426E-07 2.90949E-07 2.41512E-07 1.99284E-07 1.63462E-07 1.33282E-07 1.08026E-07 8.70349E-08 6.97040E-08 5.54907E-08 4.39116E-08 3.45406E-08 2.70067E-08 7.09462E-08 8.93630E-08 1.11864E-07 1.39166E-07 1.72061E-07 2.11419E-07 2.58176E-07 3.13332E-07 3.77928E-07 4.53036E-07 5.39730E-07 6.39061E-07 7.52026E-07 8.79528E-07 1.02234E-06 1.18105E-06 1.35605E-06 1.54745E-06 1.75507E-06 1.97838E-06 2.21649E-06 2.46810E-06 2.73152E-06 3.00464E-06 3.28496E-06 3.56958E-06 3.85529E-06 4.13858E-06 4.41575E-06 4.68292E-06 4.93619E-06 5.17168E-06 5.38566E-06 5.57463E-06 5.73543E-06 5.86532E-06 5.96205E-06 6.02393E-06 6.04990E-06 6.03953E-06 5.99304E-06 5.91130E-06 5.79581E-06 5.64862E-06 5.47232E-06 5.26991E-06 5.04476E-06 4.80049E-06 4.54089E-06 4.26981E-06 3.99108E-06 3.70842E-06 3.42536E-06 3.14516E-06 2.87079E-06 2.60485E-06 2.34956E-06 2.10676E-06 1.87789E-06 1.66398E-06 1.46573E-06 1.28346E-06 1.11722E-06 9.66762E-07 8.31619E-07 7.11135E-07 6.04508E-07 5.10826E-07 4.29104E-07 3.58319E-07 2.97436E-07 2.45432E-07 2.01317E-07 1.64149E-07 1.33046E-07 1.07195E-07 8.58507E-08 6.83462E-08 5.40855E-08 4.25443E-08 3.32653E-08 8.69462E-08 1.09515E-07 1.37089E-07 1.70544E-07 2.10854E-07 2.59082E-07 3.16377E-07 3.83962E-07 4.63115E-07 5.55146E-07 6.61374E-07 7.83085E-07 9.21499E-07 1.07772E-06 1.25270E-06 1.44717E-06 1.66158E-06 1.89609E-06 2.15046E-06 2.42405E-06 2.71577E-06 3.02402E-06 3.34673E-06 3.68132E-06 4.02470E-06 4.37334E-06 4.72331E-06 5.07030E-06 5.40976E-06 5.73696E-06 6.04711E-06 6.33545E-06 6.59742E-06 6.82874E-06 7.02553E-06 7.18444E-06 7.30271E-06 7.37829E-06 7.40987E-06 7.39694E-06 7.33976E-06 7.23942E-06 7.09775E-06 6.91727E-06 6.70115E-06 6.45307E-06 6.17716E-06 5.87787E-06 5.55982E-06 5.22775E-06 4.88634E-06 4.54014E-06 4.19347E-06 3.85033E-06 3.51435E-06 3.18871E-06 2.87613E-06 2.57886E-06 2.29865E-06 2.03678E-06 1.79408E-06 1.57096E-06 1.36746E-06 1.18329E-06 1.01787E-06 8.70399E-07 7.39889E-07 6.25226E-07 5.25203E-07 4.38567E-07 3.64050E-07 3.00401E-07 2.46407E-07 2.00917E-07 1.62850E-07 1.31209E-07 1.05085E-07 8.36601E-08 6.62053E-08 5.20788E-08 4.07212E-08 1.05895E-07 1.33380E-07 1.66960E-07 2.07704E-07 2.56793E-07 3.15526E-07 3.85300E-07 4.67604E-07 5.63994E-07 6.76067E-07 8.05425E-07 9.53638E-07 1.12219E-06 1.31243E-06 1.52550E-06 1.76230E-06 2.02339E-06 2.30894E-06 2.61868E-06 2.95181E-06 3.30700E-06 3.68232E-06 4.07524E-06 4.48259E-06 4.90065E-06 5.32510E-06 5.75113E-06 6.17353E-06 6.58673E-06 6.98498E-06 7.36244E-06 7.71334E-06 8.03210E-06 8.31351E-06 8.55287E-06 8.74608E-06 8.88981E-06 8.98155E-06 9.01972E-06 9.00369E-06 8.93382E-06 8.81140E-06 8.63867E-06 8.41873E-06 8.15542E-06 7.85324E-06 7.51721E-06 7.15275E-06 6.76550E-06 6.36121E-06 5.94558E-06 5.52417E-06 5.10221E-06 4.68458E-06 4.27568E-06 3.87939E-06 3.49902E-06 3.13730E-06 2.79635E-06 2.47774E-06 2.18246E-06 1.91101E-06 1.66344E-06 1.43939E-06 1.23816E-06 1.05876E-06 9.00005E-07 7.60526E-07 6.38858E-07 5.33475E-07 4.42834E-07 3.65413E-07 2.99736E-07 2.44403E-07 1.98099E-07 1.59611E-07 1.27834E-07 1.01773E-07 8.05405E-08 6.33565E-08 4.95404E-08 1.28174E-07 1.61440E-07 2.02083E-07 2.51394E-07 3.10807E-07 3.81890E-07 4.66335E-07 5.65945E-07 6.82601E-07 8.18237E-07 9.74792E-07 1.15416E-06 1.35815E-06 1.58838E-06 1.84624E-06 2.13281E-06 2.44877E-06 2.79434E-06 3.16916E-06 3.57230E-06 4.00212E-06 4.45629E-06 4.93173E-06 5.42464E-06 5.93048E-06 6.44404E-06 6.95949E-06 7.47051E-06 7.97039E-06 8.45214E-06 8.90870E-06 9.33309E-06 9.71857E-06 1.00588E-05 1.03482E-05 1.05817E-05 1.07552E-05 1.08659E-05 1.09118E-05 1.08920E-05 1.08072E-05 1.06587E-05 1.04494E-05 1.01830E-05 9.86422E-06 9.49840E-06 9.09167E-06 8.65058E-06 8.18197E-06 7.69278E-06 7.18992E-06 6.68009E-06 6.16965E-06 5.66448E-06 5.16991E-06 4.69062E-06 4.23060E-06 3.79316E-06 3.38087E-06 2.99559E-06 2.63855E-06 2.31034E-06 2.01101E-06 1.74013E-06 1.49683E-06 1.27995E-06 1.08802E-06 9.19401E-07 7.72315E-07 6.44918E-07 5.35344E-07 4.41752E-07 3.62357E-07 2.95466E-07 2.39490E-07 1.92963E-07 1.54549E-07 1.23043E-07 9.73746E-08 7.66003E-08 5.98973E-08 1.54179E-07 1.94193E-07 2.43079E-07 3.02392E-07 3.73854E-07 4.59352E-07 5.60923E-07 6.80732E-07 8.21044E-07 9.84182E-07 1.17248E-06 1.38822E-06 1.63357E-06 1.91047E-06 2.22062E-06 2.56528E-06 2.94530E-06 3.36091E-06 3.81171E-06 4.29655E-06 4.81348E-06 5.35968E-06 5.93145E-06 6.52421E-06 7.13250E-06 7.75005E-06 8.36985E-06 8.98430E-06 9.58531E-06 1.01645E-05 1.07133E-05 1.12235E-05 1.16867E-05 1.20956E-05 1.24432E-05 1.27237E-05 1.29320E-05 1.30647E-05 1.31194E-05 1.30953E-05 1.29929E-05 1.28140E-05 1.25620E-05 1.22413E-05 1.18576E-05 1.14175E-05 1.09282E-05 1.03977E-05 9.83408E-06 9.24581E-06 8.64115E-06 8.02817E-06 7.41449E-06 6.80719E-06 6.21267E-06 5.63655E-06 5.08364E-06 4.55789E-06 4.06238E-06 3.59937E-06 3.17030E-06 2.77590E-06 2.41622E-06 2.09073E-06 1.79840E-06 1.53781E-06 1.30720E-06 1.10461E-06 9.27895E-07 7.74834E-07 6.43189E-07 5.30744E-07 4.35359E-07 3.54994E-07 2.87744E-07 2.31845E-07 1.85692E-07 1.47840E-07 1.17001E-07 9.20408E-08 7.19723E-08 1.84312E-07 2.32144E-07 2.90582E-07 3.61483E-07 4.46907E-07 5.49108E-07 6.70522E-07 8.13736E-07 9.81458E-07 1.17647E-06 1.40155E-06 1.65943E-06 1.95270E-06 2.28369E-06 2.65441E-06 3.06640E-06 3.52064E-06 4.01742E-06 4.55625E-06 5.13576E-06 5.75362E-06 6.40646E-06 7.08985E-06 7.79830E-06 8.52529E-06 9.26332E-06 1.00040E-05 1.07383E-05 1.14564E-05 1.21485E-05 1.28042E-05 1.34136E-05 1.39670E-05 1.44553E-05 1.48703E-05 1.52051E-05 1.54536E-05 1.56118E-05 1.56767E-05 1.56474E-05 1.55244E-05 1.53102E-05 1.50086E-05 1.46250E-05 1.41661E-05 1.36398E-05 1.30549E-05 1.24207E-05 1.17470E-05 1.10440E-05 1.03214E-05 9.58888E-06 8.85563E-06 8.13005E-06 7.41978E-06 6.73153E-06 6.07106E-06 5.44305E-06 4.85120E-06 4.29819E-06 3.78575E-06 3.31473E-06 2.88519E-06 2.49649E-06 2.14740E-06 1.83622E-06 1.56086E-06 1.31895E-06 1.10794E-06 9.25181E-07 7.67993E-07 6.33732E-07 5.19840E-07 4.23884E-07 3.43586E-07 2.76842E-07 2.21735E-07 1.76538E-07 1.39714E-07 1.09911E-07 8.59476E-08 2.18970E-07 2.75795E-07 3.45218E-07 4.29447E-07 5.30929E-07 6.52341E-07 7.96577E-07 9.66711E-07 1.16596E-06 1.39762E-06 1.66501E-06 1.97137E-06 2.31976E-06 2.71296E-06 3.15336E-06 3.64278E-06 4.18239E-06 4.77252E-06 5.41261E-06 6.10102E-06 6.83497E-06 7.61045E-06 8.42221E-06 9.26373E-06 1.01272E-05 1.10038E-05 1.18835E-05 1.27556E-05 1.36084E-05 1.44302E-05 1.52088E-05 1.59323E-05 1.65893E-05 1.71689E-05 1.76614E-05 1.80585E-05 1.83532E-05 1.85405E-05 1.86170E-05 1.85816E-05 1.84351E-05 1.81801E-05 1.78213E-05 1.73653E-05 1.68198E-05 1.61944E-05 1.54994E-05 1.47459E-05 1.39457E-05 1.31106E-05 1.22524E-05 1.13825E-05 1.05117E-05 9.65018E-06 8.80685E-06 7.98972E-06 7.20561E-06 6.46008E-06 5.75751E-06 5.10108E-06 4.49283E-06 3.93377E-06 3.42395E-06 2.96263E-06 2.54833E-06 2.17904E-06 1.85225E-06 1.56517E-06 1.31477E-06 1.09789E-06 9.11358E-07 7.52037E-07 6.16887E-07 5.03021E-07 4.07735E-07 3.28533E-07 2.63139E-07 2.09506E-07 1.65808E-07 1.30440E-07 1.02003E-07 2.58534E-07 3.25623E-07 4.07587E-07 5.07031E-07 6.26843E-07 7.70187E-07 9.40476E-07 1.14134E-06 1.37658E-06 1.65009E-06 1.96577E-06 2.32746E-06 2.73878E-06 3.20301E-06 3.72295E-06 4.30077E-06 4.93784E-06 5.63456E-06 6.39025E-06 7.20298E-06 8.06945E-06 8.98495E-06 9.94326E-06 1.09367E-05 1.19560E-05 1.29908E-05 1.40292E-05 1.50584E-05 1.60650E-05 1.70349E-05 1.79537E-05 1.88074E-05 1.95825E-05 2.02662E-05 2.08471E-05 2.13152E-05 2.16625E-05 2.18829E-05 2.19726E-05 2.19302E-05 2.17565E-05 2.14549E-05 2.10308E-05 2.04919E-05 1.98477E-05 1.91090E-05 1.82882E-05 1.73986E-05 1.64539E-05 1.54680E-05 1.44551E-05 1.34284E-05 1.24007E-05 1.13840E-05 1.03888E-05 9.42467E-06 8.49950E-06 7.61991E-06 6.79105E-06 6.01665E-06 5.29912E-06 4.63965E-06 4.03829E-06 3.49414E-06 3.00548E-06 2.56991E-06 2.18449E-06 1.84591E-06 1.55058E-06 1.29480E-06 1.07482E-06 8.86923E-07 7.27536E-07 5.93250E-07 4.80876E-07 3.87470E-07 3.10349E-07 2.47096E-07 1.95561E-07 1.53849E-07 1.20310E-07 3.03355E-07 3.82073E-07 4.78244E-07 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